4-(9-fluorophenanthridin-6-yl)thiomorpholine

C17H15FN2S — CID 155933620

IUPAC4-(9-fluorophenanthridin-6-yl)thiomorpholine
SMILESFc1ccc2c(N3CCSCC3)nc3ccccc3c2c1
InChIInChI=1S/C17H15FN2S/c18-12-5-6-14-15(11-12)13-3-1-2-4-16(13)19-17(14)20-7-9-21-10-8-20/h1-6,11H,7-10H2
InChIKeyCOHSXTRRFVCLAS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.08
Rot. Bonds1

About 4-(9-fluorophenanthridin-6-yl)thiomorpholine

4-(9-fluorophenanthridin-6-yl)thiomorpholine (PubChem CID 155933620) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(9-fluorophenanthridin-6-yl)thiomorpholine.

Molecular Properties

Compound Name4-(9-fluorophenanthridin-6-yl)thiomorpholine
PubChem CID155933620
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name4-(9-fluorophenanthridin-6-yl)thiomorpholine
SMILESFc1ccc2c(N3CCSCC3)nc3ccccc3c2c1
InChIInChI=1S/C17H15FN2S/c18-12-5-6-14-15(11-12)13-3-1-2-4-16(13)19-17(14)20-7-9-21-10-8-20/h1-6,11H,7-10H2
InChIKeyCOHSXTRRFVCLAS-UHFFFAOYSA-N
XLogP4.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(9-fluorophenanthridin-6-yl)thiomorpholine?
The IUPAC name of 4-(9-fluorophenanthridin-6-yl)thiomorpholine (CID 155933620) is 4-(9-fluorophenanthridin-6-yl)thiomorpholine.
What is the SMILES notation for 4-(9-fluorophenanthridin-6-yl)thiomorpholine?
The canonical SMILES for 4-(9-fluorophenanthridin-6-yl)thiomorpholine is Fc1ccc2c(N3CCSCC3)nc3ccccc3c2c1.
What is the InChIKey of 4-(9-fluorophenanthridin-6-yl)thiomorpholine?
The InChIKey is COHSXTRRFVCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-12-5-6-14-15(11-12)13-3-1-2-4-16(13)19-17(14)20-7-9-21-10-8-20/h1-6,11H,7-10H2.
What are the key properties of 4-(9-fluorophenanthridin-6-yl)thiomorpholine?
4-(9-fluorophenanthridin-6-yl)thiomorpholine has a molecular weight of 298.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-fluorophenanthridin-6-yl)thiomorpholine is sourced from PubChem (CID 155933620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).